Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK561879
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc[nH+]c1)/[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H28N2O4 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4/c1-17(2)20-6-8-21(9-7-20)26-25(27(32)22-10-11-24-23(14-22)13-18(3)35-24)28(33)29(34)31(26)16-19-5-4-12-30-15-19/h4-12,14-15,17-18,26,32H,13,16H2,1-3H3/b27-25+InChIKey
BKNLREGFAPKCRV-IMVLJIQESA-NSynonyms
578757-88-7(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578757887
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC=C(C=C5)C(C)C)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC29H28N2O4c117(2)206821(9720)2625(27(32)2210112423(1422)1318(3)3524)28(33)29(34)31(26)16195412301519h412141517182632H1316H213H3b2725+
MFCD18243917
ZINC000102507823
ZINC000102644949
Check stock
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Check stock on Vitas-MAvailable files
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